5-ethylsulfonyl-2,4-difluoropyrimidine

C6H6F2N2O2S — CID 18981183

IUPAC5-ethylsulfonyl-2,4-difluoropyrimidine
SMILESCCS(=O)(=O)c1cnc(F)nc1F
InChIInChI=1S/C6H6F2N2O2S/c1-2-13(11,12)4-3-9-6(8)10-5(4)7/h3H,2H2,1H3
InChIKeyQNKBTVYFMYGMLH-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.55
Rot. Bonds2

About 5-ethylsulfonyl-2,4-difluoropyrimidine

5-ethylsulfonyl-2,4-difluoropyrimidine (PubChem CID 18981183) has the molecular formula C6H6F2N2O2S and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-ethylsulfonyl-2,4-difluoropyrimidine.

Molecular Properties

Compound Name5-ethylsulfonyl-2,4-difluoropyrimidine
PubChem CID18981183
Molecular FormulaC6H6F2N2O2S
Molecular Weight208.19 g/mol
Exact Mass208.01
IUPAC Name5-ethylsulfonyl-2,4-difluoropyrimidine
SMILESCCS(=O)(=O)c1cnc(F)nc1F
InChIInChI=1S/C6H6F2N2O2S/c1-2-13(11,12)4-3-9-6(8)10-5(4)7/h3H,2H2,1H3
InChIKeyQNKBTVYFMYGMLH-UHFFFAOYSA-N
XLogP0.55
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2,4-difluoropyrimidine?
The IUPAC name of 5-ethylsulfonyl-2,4-difluoropyrimidine (CID 18981183) is 5-ethylsulfonyl-2,4-difluoropyrimidine.
What is the SMILES notation for 5-ethylsulfonyl-2,4-difluoropyrimidine?
The canonical SMILES for 5-ethylsulfonyl-2,4-difluoropyrimidine is CCS(=O)(=O)c1cnc(F)nc1F.
What is the InChIKey of 5-ethylsulfonyl-2,4-difluoropyrimidine?
The InChIKey is QNKBTVYFMYGMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2S/c1-2-13(11,12)4-3-9-6(8)10-5(4)7/h3H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2,4-difluoropyrimidine?
5-ethylsulfonyl-2,4-difluoropyrimidine has a molecular weight of 208.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2,4-difluoropyrimidine is sourced from PubChem (CID 18981183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).